1-[[4-[N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]fluoren-1-yl]diazenyl]anilino]phenyl]diazenyl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide

C91H59F9N12O6 — CID 59776125

IUPAC1-[[4-[N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]fluoren-1-yl]diazenyl]anilino]phenyl]diazenyl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide
SMILESNOC(c1ccc(C(F)(F)F)cc1)c1cc2ccc3c(c2c(/N=N/c2ccc(N(c4ccc(/N=N/c5c(O)c(C(=O)Nc6ccc(C(F)(F)F)cc6)cc6ccc7c8ccccc8[nH]c7c56)cc4)c4ccc(/N=N/c5c(O)c(C(ON)c6ccc(C(F)(F)F)cc6)cc6ccc7c8ccccc8[nH]c7c56)cc4)cc2)c1O)Cc1ccccc1-3
InChIInChI=1S/C91H59F9N12O6/c92-89(93,94)53-20-13-47(14-21-53)86(117-101)70-44-50-17-40-64-63-8-2-1-7-49(63)43-69(64)75(50)80(83(70)113)109-106-57-28-34-60(35-29-57)112(61-36-30-58(31-37-61)107-110-81-76-51(18-41-67-65-9-3-5-11-73(65)104-78(67)76)45-71(84(81)114)87(118-102)48-15-22-54(23-16-48)90(95,96)97)62-38-32-59(33-39-62)108-111-82-77-52(19-42-68-66-10-4-6-12-74(66)105-79(68)77)46-72(85(82)115)88(116)103-56-26-24-55(25-27-56)91(98,99)100/h1-42,44-46,86-87,104-105,113-115H,43,101-102H2,(H,103,116)/b109-106+,110-107+,111-108+
InChIKeyAKMACHYDYWNOIN-HYFQQHAQSA-N
MW1587.53 g/mol
LogP26.09
Rot. Bonds17

About 1-[[4-[N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]fluoren-1-yl]diazenyl]anilino]phenyl]diazenyl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide

1-[[4-[N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]fluoren-1-yl]diazenyl]anilino]phenyl]diazenyl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide (PubChem CID 59776125) has the molecular formula C91H59F9N12O6 and a molecular weight of 1587.53 g/mol. Its IUPAC name is 1-[[4-[N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]fluoren-1-yl]diazenyl]anilino]phenyl]diazenyl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide.

Molecular Properties

Compound Name1-[[4-[N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]fluoren-1-yl]diazenyl]anilino]phenyl]diazenyl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide
PubChem CID59776125
Molecular FormulaC91H59F9N12O6
Molecular Weight1587.53 g/mol
Exact Mass1586.45
IUPAC Name1-[[4-[N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]fluoren-1-yl]diazenyl]anilino]phenyl]diazenyl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide
SMILESNOC(c1ccc(C(F)(F)F)cc1)c1cc2ccc3c(c2c(/N=N/c2ccc(N(c4ccc(/N=N/c5c(O)c(C(=O)Nc6ccc(C(F)(F)F)cc6)cc6ccc7c8ccccc8[nH]c7c56)cc4)c4ccc(/N=N/c5c(O)c(C(ON)c6ccc(C(F)(F)F)cc6)cc6ccc7c8ccccc8[nH]c7c56)cc4)cc2)c1O)Cc1ccccc1-3
InChIInChI=1S/C91H59F9N12O6/c92-89(93,94)53-20-13-47(14-21-53)86(117-101)70-44-50-17-40-64-63-8-2-1-7-49(63)43-69(64)75(50)80(83(70)113)109-106-57-28-34-60(35-29-57)112(61-36-30-58(31-37-61)107-110-81-76-51(18-41-67-65-9-3-5-11-73(65)104-78(67)76)45-71(84(81)114)87(118-102)48-15-22-54(23-16-48)90(95,96)97)62-38-32-59(33-39-62)108-111-82-77-52(19-42-68-66-10-4-6-12-74(66)105-79(68)77)46-72(85(82)115)88(116)103-56-26-24-55(25-27-56)91(98,99)100/h1-42,44-46,86-87,104-105,113-115H,43,101-102H2,(H,103,116)/b109-106+,110-107+,111-108+
InChIKeyAKMACHYDYWNOIN-HYFQQHAQSA-N
XLogP26.09
TPSA269.27 Ų
H-Bond Donors8
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001587.53
LogP ≤ 526.09
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[[4-[N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]fluoren-1-yl]diazenyl]anilino]phenyl]diazenyl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]fluoren-1-yl]diazenyl]anilino]phenyl]diazenyl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide?
The IUPAC name of 1-[[4-[N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]fluoren-1-yl]diazenyl]anilino]phenyl]diazenyl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide (CID 59776125) is 1-[[4-[N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]fluoren-1-yl]diazenyl]anilino]phenyl]diazenyl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide.
What is the SMILES notation for 1-[[4-[N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]fluoren-1-yl]diazenyl]anilino]phenyl]diazenyl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide?
The canonical SMILES for 1-[[4-[N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]fluoren-1-yl]diazenyl]anilino]phenyl]diazenyl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide is NOC(c1ccc(C(F)(F)F)cc1)c1cc2ccc3c(c2c(/N=N/c2ccc(N(c4ccc(/N=N/c5c(O)c(C(=O)Nc6ccc(C(F)(F)F)cc6)cc6ccc7c8ccccc8[nH]c7c56)cc4)c4ccc(/N=N/c5c(O)c(C(ON)c6ccc(C(F)(F)F)cc6)cc6ccc7c8ccccc8[nH]c7c56)cc4)cc2)c1O)Cc1ccccc1-3.
What is the InChIKey of 1-[[4-[N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]fluoren-1-yl]diazenyl]anilino]phenyl]diazenyl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide?
The InChIKey is AKMACHYDYWNOIN-HYFQQHAQSA-N. The full InChI is InChI=1S/C91H59F9N12O6/c92-89(93,94)53-20-13-47(14-21-53)86(117-101)70-44-50-17-40-64-63-8-2-1-7-49(63)43-69(64)75(50)80(83(70)113)109-106-57-28-34-60(35-29-57)112(61-36-30-58(31-37-61)107-110-81-76-51(18-41-67-65-9-3-5-11-73(65)104-78(67)76)45-71(84(81)114)87(118-102)48-15-22-54(23-16-48)90(95,96)97)62-38-32-59(33-39-62)108-111-82-77-52(19-42-68-66-10-4-6-12-74(66)105-79(68)77)46-72(85(82)115)88(116)103-56-26-24-55(25-27-56)91(98,99)100/h1-42,44-46,86-87,104-105,113-115H,43,101-102H2,(H,103,116)/b109-106+,110-107+,111-108+.
What are the key properties of 1-[[4-[N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]fluoren-1-yl]diazenyl]anilino]phenyl]diazenyl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide?
1-[[4-[N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]fluoren-1-yl]diazenyl]anilino]phenyl]diazenyl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide has a molecular weight of 1587.53 g/mol, XLogP of 26.09, 17 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]fluoren-1-yl]diazenyl]anilino]phenyl]diazenyl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide is sourced from PubChem (CID 59776125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).